Geometry & MOs

Info

ID:	263187
PubChem CID:	103344295
Reduced:	OS3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	315.107519
ΔH_f, kcal/mol:	37.87
Dipole, Da:	2.94
IP(EA), eV:	-8.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C2=NOC(=N2)C3=C(SN=C3C)NC)C

DOS

IR

Vibrations